N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylethanoyl)octadecanamide

Systemtic Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylethanoyl)octadecanamide Openeye Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylacetyl)octadecanamide CAS Name: N-(2-hydroxyethyl)-N-[1-oxo-2-(1-pyridin-1-iumyl)ethyl]octadecanamide IUPAC Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylacetyl)octadecanamide Traditional Name: N-(2-hydroxyethyl)-N-(2-pyridin-1-ium-1-ylacetyl)stearamide Formula: C27H47N2O3+ MolecularWeight: 447.67368

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)C[N+]1=CC=CC=C1

Isomeric SMILES

CCCCCCCCCCCCCCCCCC(=O)N(CCO)C(=O)C[N+]1=CC=CC=C1

InChI

InChI=1S/C27H47N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-17-20-26(31)29(23-24-30)27(32)25-28-21-18-16-19-22-28/h16,18-19,21-22,30H,2-15,17,20,23-25H2,1H3/q+1